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Carthamidin

CAT: 0127-BUP24085-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP24085-02Size:5 mg
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CAS Number
479-54-9
Synonyms
4',5,7,8-Tetrahydroxyflavanone
Purity
≥95%
Smiles
O=C1C=2C (O[C@@H] (C1) C3=CC=C (O) C=C3) =CC (O) =C (O) C2O

Chemical Information

Carthamidin

Carthamidin is a tetrahydroxyflavanone that is (S)-naringenin substituted by an additional hydroxy group at position 6. It has a role as a plant metabolite. It is a member of 4'-hydroxyflavanones, a (2S)-flavan-4-one and a tetrahydroxyflavanone. It is functionally related to a (S)-naringenin.

CAS Number479-54-9
PubChem CID188308
IUPAC Name(2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O6
Molecular Weight288.25
XLogP2
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity392
SMILES
C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-4,6,11,16,18-20H,5H2/t11-/m0/s1
InChIKey
NPLTVGMLNDMOQE-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Carthamidin
CAS: 479-54-9
CID: 188308
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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